SCHEMBL535502

SCHEMBL535502

CC(=O)OCCCCCCCCOc1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
POLB P06746 1/20 0.54
ALDH1A1 P00352 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL595164 0.96 MEN1 (0.65) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL8359303 0.82 RAB9A (0.58) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28989046 0.82 RAB9A (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL16114005 0.81 MCHR1 (0.67) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL10647335 0.81 MCHR1 (0.67) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL9632939 0.81 MCHR1 (0.67) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL535379 0.81 RAB9A (0.61) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL18691791 0.81 MCHR1 (0.67) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28900561 0.79 RAB9A (0.63) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2487839 0.79 RAB9A (0.63) MEN1KMT2AMAPTRAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 MEN1 2435/4885KMT2A 1398/4885MAPT 4795/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 MEN1 1832/4885KMT2A 1133/4885MAPT 4756/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 MEN1 2429/4885KMT2A 1499/4885MAPT 4779/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.